[
  {
    "molid": "mol35369",
    "smiles": "CCCCCCN(CCCCCC)Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCCC[NH+](CCCCCC)Cc1ccccc1[O-]",
        "std_free_energy": -4.389632225036621,
        "relative_population": 0.6882830251004814
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCCCN(CCCCCC)Cc1ccccc1O",
        "std_free_energy": -3.5975277423858643,
        "relative_population": 0.3117169748995185
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCCC[NH+](CCCCCC)Cc1ccccc1O",
        "std_free_energy": -8.948841094970703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]